N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

C20H27N5O2 — CID 66505284

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C20H27N5O2/c1-15-17(14-22-20(23-15)25-12-10-24(2)11-13-25)19(26)21-9-8-16-6-4-5-7-18(16)27-3/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeyNGNQOPNTZGEALY-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 66505284) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID66505284
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C20H27N5O2/c1-15-17(14-22-20(23-15)25-12-10-24(2)11-13-25)19(26)21-9-8-16-6-4-5-7-18(16)27-3/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeyNGNQOPNTZGEALY-UHFFFAOYSA-N
XLogP1.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505293
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 46345570
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505238
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345531
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27757163
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308616
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 66505284) is N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is COc1ccccc1CCNC(=O)c1cnc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is NGNQOPNTZGEALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-17(14-22-20(23-15)25-12-10-24(2)11-13-25)19(26)21-9-8-16-6-4-5-7-18(16)27-3/h4-7,14H,8-13H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 66505284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).